cis-(1R,3S)-3-(5-methyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)cyclopentane-1-carboxylic acid

C14H19NO4 — CID 114173319

IUPACcis-(1R,3S)-3-(5-methyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)cyclopentane-1-carboxylic acid
SMILESCC1CC2C(=O)N([C@H]3CC[C@@H](C(=O)O)C3)C(=O)C2C1
InChIInChI=1S/C14H19NO4/c1-7-4-10-11(5-7)13(17)15(12(10)16)9-3-2-8(6-9)14(18)19/h7-11H,2-6H2,1H3,(H,18,19)/t7?,8-,9+,10?,11?/m1/s1
InChIKeyGSLCHALIKLICHG-SQQPQDOJSA-N
MW265.31 g/mol
LogP1.27
Rot. Bonds2

About cis-(1R,3S)-3-(5-methyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)cyclopentane-1-carboxylic acid

cis-(1R,3S)-3-(5-methyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)cyclopentane-1-carboxylic acid (PubChem CID 114173319) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is cis-(1R,3S)-3-(5-methyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-(5-methyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)cyclopentane-1-carboxylic acid
PubChem CID114173319
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Namecis-(1R,3S)-3-(5-methyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)cyclopentane-1-carboxylic acid
SMILESCC1CC2C(=O)N([C@H]3CC[C@@H](C(=O)O)C3)C(=O)C2C1
InChIInChI=1S/C14H19NO4/c1-7-4-10-11(5-7)13(17)15(12(10)16)9-3-2-8(6-9)14(18)19/h7-11H,2-6H2,1H3,(H,18,19)/t7?,8-,9+,10?,11?/m1/s1
InChIKeyGSLCHALIKLICHG-SQQPQDOJSA-N
XLogP1.27
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl)cyclohexane-1-carboxylic acid
CID 103499629
cis-(1R,3S)-3-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)cyclopentane-1-carboxylic acid
CID 106321907
cis-(1R,3S)-3-(1,3-dioxoisoindol-2-yl)cyclopentane-1-carboxylic acid
CID 54550801
4-[(1S,2S,6S,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]cyclohexane-1-carboxylic acid
CID 6592936
4-[(1R,2S,6S,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]cyclohexane-1-carboxylic acid
CID 40634444
cis-(1R,3S)-3-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)cyclopentane-1-carboxylic acid
CID 106321875
3-methylcyclobutane-1-carboxylic acid
CID 3044406
(3S)-cyclopentane-1,3-dicarboxylic acid
CID 138481198
5-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindole-5-carbonyl)-2-(3-methylcyclohexyl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 140733601
4-[(1R,2S,6S,7R,8S,9R)-8,9-dibromo-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]cyclohexane-1-carboxylic acid
CID 124773490
3-methyl-2-[(5-methyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)methyl]butanoic acid
CID 114391616
3-(2-oxo-1,3-diazinan-1-yl)cyclopentane-1-carboxylic acid
CID 66032376

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-(5-methyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-(5-methyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)cyclopentane-1-carboxylic acid (CID 114173319) is cis-(1R,3S)-3-(5-methyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-(5-methyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-(5-methyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)cyclopentane-1-carboxylic acid is CC1CC2C(=O)N([C@H]3CC[C@@H](C(=O)O)C3)C(=O)C2C1.
What is the InChIKey of cis-(1R,3S)-3-(5-methyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)cyclopentane-1-carboxylic acid?
The InChIKey is GSLCHALIKLICHG-SQQPQDOJSA-N. The full InChI is InChI=1S/C14H19NO4/c1-7-4-10-11(5-7)13(17)15(12(10)16)9-3-2-8(6-9)14(18)19/h7-11H,2-6H2,1H3,(H,18,19)/t7?,8-,9+,10?,11?/m1/s1.
What are the key properties of cis-(1R,3S)-3-(5-methyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)cyclopentane-1-carboxylic acid?
cis-(1R,3S)-3-(5-methyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)cyclopentane-1-carboxylic acid has a molecular weight of 265.31 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-(5-methyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 114173319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).